4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

C26H26BrN3O — CID 16984734

IUPAC4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccc(C)c(Cn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)c1
InChIInChI=1S/C26H26BrN3O/c1-18-9-10-19(2)21(16-18)17-30-24-7-4-3-6-23(24)29-25(30)8-5-15-28-26(31)20-11-13-22(27)14-12-20/h3-4,6-7,9-14,16H,5,8,15,17H2,1-2H3,(H,28,31)
InChIKeyRNOODCIYUXLRNV-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.83
Rot. Bonds7

About 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984734) has the molecular formula C26H26BrN3O and a molecular weight of 476.42 g/mol. Its IUPAC name is 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16984734
Molecular FormulaC26H26BrN3O
Molecular Weight476.42 g/mol
Exact Mass475.13
IUPAC Name4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccc(C)c(Cn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)c1
InChIInChI=1S/C26H26BrN3O/c1-18-9-10-19(2)21(16-18)17-30-24-7-4-3-6-23(24)29-25(30)8-5-15-28-26(31)20-11-13-22(27)14-12-20/h3-4,6-7,9-14,16H,5,8,15,17H2,1-2H3,(H,28,31)
InChIKeyRNOODCIYUXLRNV-UHFFFAOYSA-N
XLogP5.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 4656833
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
4-bromo-N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16984820
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966196
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16984734) is 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is Cc1ccc(C)c(Cn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)c1.
What is the InChIKey of 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is RNOODCIYUXLRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O/c1-18-9-10-19(2)21(16-18)17-30-24-7-4-3-6-23(24)29-25(30)8-5-15-28-26(31)20-11-13-22(27)14-12-20/h3-4,6-7,9-14,16H,5,8,15,17H2,1-2H3,(H,28,31).
What are the key properties of 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 476.42 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).